3-methoxy-17-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene

C19H26O — CID 22950907

IUPAC3-methoxy-17-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene
SMILESCOC1=CCC2=C(CCC3C4CCC(C)=C4CCC23)C1
InChIInChI=1S/C19H26O/c1-12-3-6-17-15(12)9-10-18-16-8-5-14(20-2)11-13(16)4-7-19(17)18/h5,17-19H,3-4,6-11H2,1-2H3
InChIKeyRYJPTISEZIHCLL-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.15
Rot. Bonds1

About 3-methoxy-17-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene

3-methoxy-17-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene (PubChem CID 22950907) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-methoxy-17-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Name3-methoxy-17-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene
PubChem CID22950907
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name3-methoxy-17-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene
SMILESCOC1=CCC2=C(CCC3C4CCC(C)=C4CCC23)C1
InChIInChI=1S/C19H26O/c1-12-3-6-17-15(12)9-10-18-16-8-5-14(20-2)11-13(16)4-7-19(17)18/h5,17-19H,3-4,6-11H2,1-2H3
InChIKeyRYJPTISEZIHCLL-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-17-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene?
The IUPAC name of 3-methoxy-17-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene (CID 22950907) is 3-methoxy-17-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene.
What is the SMILES notation for 3-methoxy-17-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene?
The canonical SMILES for 3-methoxy-17-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene is COC1=CCC2=C(CCC3C4CCC(C)=C4CCC23)C1.
What is the InChIKey of 3-methoxy-17-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene?
The InChIKey is RYJPTISEZIHCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-12-3-6-17-15(12)9-10-18-16-8-5-14(20-2)11-13(16)4-7-19(17)18/h5,17-19H,3-4,6-11H2,1-2H3.
What are the key properties of 3-methoxy-17-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene?
3-methoxy-17-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene has a molecular weight of 270.42 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-17-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 22950907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).